methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate

C19H21FN2O2 — CID 175660079

IUPACmethyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCCN2)nc1CCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)15-9-11-18(17-3-2-12-21-17)22-16(15)10-6-13-4-7-14(20)8-5-13/h4-5,7-9,11,17,21H,2-3,6,10,12H2,1H3
InChIKeyMOCKPALXCKULQM-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.22
Rot. Bonds5

About methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate

methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate (PubChem CID 175660079) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate
PubChem CID175660079
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2CCCN2)nc1CCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)15-9-11-18(17-3-2-12-21-17)22-16(15)10-6-13-4-7-14(20)8-5-13/h4-5,7-9,11,17,21H,2-3,6,10,12H2,1H3
InChIKeyMOCKPALXCKULQM-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tcmdc-123821
CID 279858
ethyl 2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)pyridine-3-carboxylate
CID 90644881
ethyl 6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-phenylpyridine-3-carboxylate
CID 90644882
Methyl 6-phenylnicotinate
CID 13129505
Ethyl 4-[(2-aminophenyl)amino]-2,6-dimethylnicotinate
CID 766509
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
methyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3237097
ethyl 1-[2-(tert-butylamino)-2-oxoethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 4117540
Ethyl 1-{2-[(butan-2-YL)carbamoyl]ethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 4620181
ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-3-carboxylate
CID 5061395
ethyl 1-[2-(sec-butylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 5061398
Ethyl 1-{[(2-fluorophenyl)carbamoyl]methyl}-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 16010358

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate (CID 175660079) is methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate is COC(=O)c1ccc(C2CCCN2)nc1CCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate?
The InChIKey is MOCKPALXCKULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-19(23)15-9-11-18(17-3-2-12-21-17)22-16(15)10-6-13-4-7-14(20)8-5-13/h4-5,7-9,11,17,21H,2-3,6,10,12H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate?
methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)ethyl]-6-pyrrolidin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 175660079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).